BDBM50099563 CHEMBL21553::boron-containing nicotine analogue

SMILES: CN1CC[C@@H]2CCc3cc[n+]([BH2-]C#N)cc3[C@H]12

InChI Key: InChIKey=RMZBFAYJNSPNBO-WCQYABFASA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50099563   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50099563 (CHEMBL21553 | boron-containing nicotine analogue) Show SMILES CN1CC[C@@H]2CCc3cc[n+]([BH2-]C#N)cc3[C@H]12 Show InChI InChI=1S/C13H18BN3/c1-16-6-4-11-3-2-10-5-7-17(14-9-15)8-12(10)13(11)16/h5,7-8,11,13H,2-4,6,14H2,1H3/t11-,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Affinity for alpha-7 neuronal nicotinic acetylcholine receptor subtype determined by inhibition of [3H]-MLA binding to rat brain membranes				Bioorg Med Chem Lett 11: 1245-8 (2001) BindingDB Entry DOI: 10.7270/Q2RF5VKS
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2 (Rattus norvegicus (Rat))	BDBM50099563 (CHEMBL21553 | boron-containing nicotine analogue) Show SMILES CN1CC[C@@H]2CCc3cc[n+]([BH2-]C#N)cc3[C@H]12 Show InChI InChI=1S/C13H18BN3/c1-16-6-4-11-3-2-10-5-7-17(14-9-15)8-12(10)13(11)16/h5,7-8,11,13H,2-4,6,14H2,1H3/t11-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Affinity for Nicotinic acetylcholine receptor alpha4-beta2 tested by analogue-induced inhibition of [3H]NIC binding to rat striatal membranes				Bioorg Med Chem Lett 11: 1245-8 (2001) BindingDB Entry DOI: 10.7270/Q2RF5VKS
					More data for this Ligand-Target Pair